cryos
Build @voltrondata, @OpenChemistry projects including Avogadro and Tomviz, PhD in Physics, open science advocate. Mainly C++, Python, CMake, HTML5, TypeScript
@VoltronDataWading River, NY, USA
Pinned Repositories
avogadro
Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
avogadro-squared
Avogadro superbuild project, builds Avogadro dependencies and then Avogadro itself
avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
chemicaljson
Development of the Chemical JSON data representation
eigen
Git conversion of the Eigen respository, largely for superbuild projects
openchemistry
Supermodule containing submodules and external project to build all components
openqube
Open quantum processing library, read output files, generate MOs and electron density cubes.
tomviz
Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
vtk-modularization
Scripts for VTK modularization
cryos's Repositories
cryos/eigen
Git conversion of the Eigen respository, largely for superbuild projects
cryos/openqube
Open quantum processing library, read output files, generate MOs and electron density cubes.
cryos/vtk-modularization
Scripts for VTK modularization
cryos/AvogadroVTK
Avogadro VTK extension, primarily using the volume rendering from VTK to look at electronic structure
cryos/avogadro-super
First attempt at a Git super project - contains Avogadro and OpenBabel
cryos/chemicaljson
Development of the Chemical JSON data representation
cryos/fox
A Fortran XML library
cryos/VTK
Visualization Toolkit
cryos/molequeue
Desktop integration of high performance computing resources
cryos/CMP
CMake macros and project setup scripts
cryos/DREAM3D
Problem solving environment for materials data analytics, based on the managing framework SIMPL
cryos/girder
A data management platform for the web
cryos/lfs
Testing git-lfs
cryos/manchester-tomviz-2017
cryos/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
cryos/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
cryos/QC_JSON_Schema
A JSON Schema for Quantum Chemistry
cryos/QtTesting
cryos/scipy-tomviz-2017
cryos/SIMPL
C++ library for managing, archiving and analyzing multimodal data in many dimensions
cryos/SMTK
Simulation Modeling Tool Kit
cryos/spglib
C library for finding and handling crystal symmetries
cryos/stempy
Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine
cryos/suitcase-dataexchange
cryos/tomopy
Tomographic Reconstruction in Python
cryos/tomviz-superbuild
Superbuild to make packaging simpler for tomviz
cryos/TomvizToolbox
DREAM3D Plugin to remote control Tomviz (http://www.tomviz.org)
cryos/tomviztutorial
Tutorial slides on the use of Tomviz
cryos/tomvizweb
Tomviz web code supporting the Tomviz desktop application for web export of data
cryos/vtkjschem